Charge: 1
Inchi:1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H/q+1
Electronic States
Energy
(eV)
-844.55947
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01492 b
(cm-1)
0.01107 c
(cm-1)
0.00636
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.02343
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.15000
Eigenvectors
#
X
Y
Z
1
0.04721
0.00000
0.03043
2
-0.04721
0.00000
0.03043
3
0.05085
0.00000
-0.04980
4
0.00652
0.00000
-0.01163
5
-0.05085
0.00000
-0.04979
6
-0.00652
0.00000
-0.01163
7
0.04315
0.00000
0.00758
8
-0.00342
0.00000
0.00160
9
-0.04315
0.00000
0.00758
10
0.00342
0.00000
0.00160
11
-0.01662
0.00000
-0.00693
12
0.01033
0.00000
-0.01462
13
0.01662
0.00000
-0.00693
14
-0.01033
0.00000
-0.01462
15
0.01260
0.00000
0.00027
16
0.03065
0.00000
-0.00568
17
-0.01260
0.00000
0.00027
18
-0.03065
0.00000
-0.00568
19
0.02198
0.00000
-0.00365
20
-0.02198
0.00000
-0.00365
21
-0.00483
0.00000
0.08912
22
0.00483
0.00000
0.08911
23
0.01572
0.00000
-0.06566
24
0.04142
0.00000
-0.30082
25
-0.01572
0.00000
-0.06565
26
-0.04142
0.00000
-0.30082
27
-0.30400
0.00000
-0.16692
28
0.02128
0.00000
-0.01166
29
0.30400
0.00000
-0.16692
30
-0.02128
0.00000
-0.01166
31
-0.09523
0.00000
0.04964
32
0.09523
0.00000
0.04964
33
0.13651
0.00000
0.05854
34
-0.13650
0.00000
0.05854